REMARK Name = BDB011007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.470 -0.847 -1.889 0.00 0.00 -0.030 A ATOM 2 C LIG 1 2.266 -0.496 -1.261 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.300 -1.474 -0.972 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.514 -2.810 -1.295 0.00 0.00 +0.078 A ATOM 5 N LIG 1 0.571 -3.802 -1.017 0.00 0.00 -0.237 NA ATOM 6 C LIG 1 -0.551 -3.430 -0.489 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -0.906 -2.136 -0.164 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.711 -3.169 -1.912 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.032 -1.115 -0.302 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -0.070 0.034 0.125 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.678 -2.202 -2.204 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.211 -1.913 0.392 0.00 0.00 +0.145 A ATOM 13 N LIG 1 -2.914 -2.999 0.795 0.00 0.00 -0.195 NA ATOM 14 C LIG 1 -4.126 -2.813 1.348 0.00 0.00 +0.219 A ATOM 15 C LIG 1 -4.733 -1.577 1.476 0.00 0.00 +0.072 A ATOM 16 C LIG 1 -4.067 -0.428 1.037 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -2.781 -0.640 0.490 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -4.699 1.048 1.122 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.793 1.342 2.203 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -5.073 2.653 2.579 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -5.673 3.941 2.035 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -3.817 2.117 1.866 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -5.110 1.514 -0.342 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.220 1.173 -1.065 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -7.312 0.320 -0.690 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.099 1.811 -2.262 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -4.980 2.494 -2.286 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.352 2.300 -1.080 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 BRANCH 14 29 ATOM 29 O LIG 1 -4.871 -3.900 1.749 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.075 -5.045 2.017 0.00 0.00 +0.445 C ATOM 31 F LIG 1 -3.392 -4.827 3.171 0.00 0.00 -0.204 F ENDBRANCH 29 30 ENDBRANCH 14 29 ENDBRANCH 7 12 BRANCH 1 33 ATOM 32 C LIG 1 4.109 1.632 -2.257 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.570 0.164 -2.225 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 N LIG 1 5.762 -0.070 -1.389 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 5.616 0.256 0.035 0.00 0.00 +0.088 C ATOM 36 C LIG 1 6.548 1.381 0.509 0.00 0.00 +0.000 C ATOM 37 C LIG 1 6.335 1.690 1.990 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.016 1.027 0.232 0.00 0.00 +0.006 C ATOM 39 C LIG 1 8.191 0.222 -1.056 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.007 0.396 -2.003 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7